SCHEMBL6435539

SCHEMBL6435539

CCCNC(=O)C(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.67
CNR2 P34972 3/20 0.67
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.50
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.45
OPRM1 P35372 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6431976 0.90 CNR1 (0.63) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL6432059 0.88 CNR1 (0.61) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL28656133 0.88 CNR1 (0.55) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL20077094 0.86 LMNA (0.53) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL23903534 0.84 CNR1 (0.65) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL6188978 0.84 LMNA (0.55) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL25443355 0.82 CNR1 (0.58) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL25442168 0.81 CNR1 (0.75) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL23903290 0.81 CNR1 (0.61) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL27426326 0.81 CNR1 (0.61) CNR1CNR2HDAC3HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 CN disclosed
EP-1224163-B1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-6548522-B1 N-substituted 2,2-diphenylacetamide or N-substituted 2-phenyl-2-pyridinylacetamide HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
EP-1224163-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001027070-A1 USE OF CARBONYLAMINO DERIVATIVES AGAINST CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-19 WO disclosed